2-(5-cyano-8-methyl-7-oxidanyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(5-cyano-8-methyl-7-oxidanyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-7-hydroxy-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-cyano-7-hydroxy-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-cyano-7-hydroxy-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-cyano-7-hydroxy-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)O)C)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)O)C)CC(=O)O

InChI

InChI=1S/C18H20N2O4/c1-3-5-18(8-14(22)23)17-12(4-6-24-18)15-11(9-19)7-13(21)10(2)16(15)20-17/h7,20-21H,3-6,8H2,1-2H3,(H,22,23)